5-(3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carbonyl)-N,N,2-trimethylbenzenesulfonamide

C21H23N3O3S — CID 110646920

IUPAC5-(3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carbonyl)-N,N,2-trimethylbenzenesulfonamide
SMILESCc1ccc(C(=O)N2CCn3c(cc4ccccc43)C2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C21H23N3O3S/c1-15-8-9-17(13-20(15)28(26,27)22(2)3)21(25)23-10-11-24-18(14-23)12-16-6-4-5-7-19(16)24/h4-9,12-13H,10-11,14H2,1-3H3
InChIKeyIBNVMLYRCJGJFE-UHFFFAOYSA-N
MW397.50 g/mol
LogP2.86
Rot. Bonds3

About 5-(3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carbonyl)-N,N,2-trimethylbenzenesulfonamide

5-(3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carbonyl)-N,N,2-trimethylbenzenesulfonamide (PubChem CID 110646920) has the molecular formula C21H23N3O3S and a molecular weight of 397.50 g/mol. Its IUPAC name is 5-(3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carbonyl)-N,N,2-trimethylbenzenesulfonamide.

Molecular Properties

Compound Name5-(3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carbonyl)-N,N,2-trimethylbenzenesulfonamide
PubChem CID110646920
Molecular FormulaC21H23N3O3S
Molecular Weight397.50 g/mol
Exact Mass397.15
IUPAC Name5-(3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carbonyl)-N,N,2-trimethylbenzenesulfonamide
SMILESCc1ccc(C(=O)N2CCn3c(cc4ccccc43)C2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C21H23N3O3S/c1-15-8-9-17(13-20(15)28(26,27)22(2)3)21(25)23-10-11-24-18(14-23)12-16-6-4-5-7-19(16)24/h4-9,12-13H,10-11,14H2,1-3H3
InChIKeyIBNVMLYRCJGJFE-UHFFFAOYSA-N
XLogP2.86
TPSA62.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-(3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carbonyl)-N,N,2-trimethylbenzenesulfonamide with MolForge

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Related Compounds

ethyl 4-[3-(dimethylsulfamoyl)-4-methylbenzoyl]piperazine-1-carboxylate
CID 110295888
N,N,2-trimethyl-5-(1-oxo-1,4-thiazinane-4-carbonyl)benzenesulfonamide
CID 110721530
3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carboxylic acid
CID 69422557
methyl 3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carboxylate
CID 110646938
N,N,2-trimethyl-5-(2-methylmorpholine-4-carbonyl)benzenesulfonamide
CID 110292445
3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl(thiophen-2-yl)methanone
CID 110646888
6-(3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carbonyl)-3-phenyl-3,4-dihydroisochromen-1-one
CID 154838857
N,N-diethyl-5-[4-(2-hydroxybenzoyl)piperazine-1-carbonyl]-2-methylbenzenesulfonamide
CID 55849954
[2-(cyclobutylamino)-4-pyridinyl]-(1,3,4,5-tetrahydro-[1,4]diazepino[1,2-a]indol-2-yl)methanone
CID 146093993
N,N,2,3-tetramethyl-5-(4,6,7,8-tetrahydrofuro[3,2-c]azepine-5-carbonyl)benzenesulfonamide
CID 126808149
5-(4,4-dimethyl-1,3-oxazolidine-3-carbonyl)-N,N,2-trimethylbenzenesulfonamide
CID 110740641
1-(3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)-2-(4-methylpiperazin-1-yl)propan-1-one
CID 86581408

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carbonyl)-N,N,2-trimethylbenzenesulfonamide?
The IUPAC name of 5-(3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carbonyl)-N,N,2-trimethylbenzenesulfonamide (CID 110646920) is 5-(3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carbonyl)-N,N,2-trimethylbenzenesulfonamide.
What is the SMILES notation for 5-(3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carbonyl)-N,N,2-trimethylbenzenesulfonamide?
The canonical SMILES for 5-(3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carbonyl)-N,N,2-trimethylbenzenesulfonamide is Cc1ccc(C(=O)N2CCn3c(cc4ccccc43)C2)cc1S(=O)(=O)N(C)C.
What is the InChIKey of 5-(3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carbonyl)-N,N,2-trimethylbenzenesulfonamide?
The InChIKey is IBNVMLYRCJGJFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3S/c1-15-8-9-17(13-20(15)28(26,27)22(2)3)21(25)23-10-11-24-18(14-23)12-16-6-4-5-7-19(16)24/h4-9,12-13H,10-11,14H2,1-3H3.
What are the key properties of 5-(3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carbonyl)-N,N,2-trimethylbenzenesulfonamide?
5-(3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carbonyl)-N,N,2-trimethylbenzenesulfonamide has a molecular weight of 397.50 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carbonyl)-N,N,2-trimethylbenzenesulfonamide is sourced from PubChem (CID 110646920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).